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BDBM186840 US9670203, Compound 1.28

SMILES: Clc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1Cl

InChI Key: InChIKey=SVVMLYCUUFGQKZ-FKBYEOEOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 186840   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186840
PNG
(US9670203, Compound 1.28)
Show SMILES Clc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1Cl |r|
Show InChI InChI=1S/C24H18Cl2N4O4/c25-15-4-1-11(9-16(15)26)28-24(32)30-21-20-14-10-12(2-5-17(14)34-22(20)21)33-18-7-8-27-23-13(18)3-6-19(31)29-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,27,29,31)(H2,28,30,32)/t20-,21-,22-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 770n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM186840
PNG
(US9670203, Compound 1.28)
Show SMILES Clc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1Cl |r|
Show InChI InChI=1S/C24H18Cl2N4O4/c25-15-4-1-11(9-16(15)26)28-24(32)30-21-20-14-10-12(2-5-17(14)34-22(20)21)33-18-7-8-27-23-13(18)3-6-19(31)29-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,27,29,31)(H2,28,30,32)/t20-,21-,22-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair